N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine

C17H36N2 — CID 79445008

IUPACN,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(C(C)CC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-6-14-18-16(15(3)7-2)17(19(4)5)12-10-8-9-11-13-17/h15-16,18H,6-14H2,1-5H3
InChIKeyFPJFSJHKEXUQFX-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds7

About N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine

N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine (PubChem CID 79445008) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
PubChem CID79445008
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine
SMILESCCCNC(C(C)CC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-6-14-18-16(15(3)7-2)17(19(4)5)12-10-8-9-11-13-17/h15-16,18H,6-14H2,1-5H3
InChIKeyFPJFSJHKEXUQFX-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propoctamine
CID 107147
4-cyclohexylbutyl-[(1R)-2-methyl-1-[[[(1S)-1-(methylaminomethyl)pentyl]amino]methyl]propyl]amine
CID 24793490
(R)-N2-(cycloheptylmethyl)-N1-((R)-1-(methylamino)pentan-2-yl)pentane-1,2-diamine
CID 45482174
1,2,3-Propanetriamine, N(sup 1),N(sup 3)-bis(2-ethylhexyl)-N(sup 1),2-dimethyl-
CID 107182
1-(aminomethyl)-N,N-dimethylcycloheptan-1-amine
CID 9167342
amine S-24
CID 19985237
N'-[(4-aminocycloheptyl)methyl]-N-ethylpropane-1,3-diamine
CID 44288500
N'-[3-(cycloheptylmethylamino)propyl]-N-ethylpropane-1,3-diamine
CID 44321383
N'-[[(1R,4S)-4-aminocycloheptyl]methyl]-N-ethyl-propane-1,3-diamine
CID 487178
11-[(Cycloheptyl)methyl]-4,8-diazaundecane
CID 91402208
Tetraoctyl diethylenetriamine
CID 129778915
N'-[2-(cyclopentadecylmethylamino)ethyl]ethane-1,2-diamine
CID 137629860

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine (CID 79445008) is N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine is CCCNC(C(C)CC)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
The InChIKey is FPJFSJHKEXUQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-6-14-18-16(15(3)7-2)17(19(4)5)12-10-8-9-11-13-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine?
N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-methyl-1-(propylamino)butyl]cycloheptan-1-amine is sourced from PubChem (CID 79445008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).